1-(2,4-difluorophenyl)cyclobutan-1-amine

• ChemBase ID: 244781
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: c1(c(cc(cc1)F)F)C1(N)CCC1
• Canonical SMILES: Fc1ccc(c(c1)F)C1(N)CCC1
• InChI: InChI=1S/C10H11F2N/c11-7-2-3-8(9(12)6-7)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2
• InChIKey: LHOZEQMKAXACTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-difluorophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(2,4-difluorophenyl)cyclobutan-1-amine
• Synonyms: 1-(2,4-difluorophenyl)cyclobutan-1-amine

Database IDs

• MDL Number: MFCD19699145
• PubChem SID: 164300691
• PubChem CID: 64559834

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.745604
• LogD (pH = 7.4): 0.34804085
• Log P: 2.2183201
• Molar Refractivity: 46.666 cm^3
• Polarizability: 17.836344 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.283

Product Information

• Purity: 95%